4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)

C56H47N3OPt — CID 167356231

About 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)

4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) (PubChem CID 167356231) has the molecular formula C56H47N3OPt and a molecular weight of 985.16 g/mol. Its IUPAC name is 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)
• PubChem CID: 167356231
• Molecular Formula: C56H47N3OPt
• Molecular Weight: 985.16 g/mol
• Exact Mass: 984.41
• IUPAC Name: 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccccc2)cc(-n2c(-c3cc(C)cc(C)c3O[CH2-])nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc6)ccn5)cc(-c5ccccc5)c4)cccc32)c1.[Pt+2]
• InChI: InChI=1S/C56H47N3O.Pt/c1-36-27-38(3)54(60-7)50(30-36)55-58-53-49(19-14-20-52(53)59(55)48-29-37(2)28-43(34-48)39-15-10-8-11-16-39)45-31-44(40-17-12-9-13-18-40)32-46(33-45)51-35-42(25-26-57-51)41-21-23-47(24-22-41)56(4,5)6;/h8-32,34-35H,7H2,1-6H3;/q-2;+2/i2D3,4D3,5D3,6D3
• InChIKey: GEKWCDDACZLEQG-YTMKWLTNSA-N
• XLogP: 14.61
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.16
LogP ≤ 5	14.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)?

The IUPAC name of 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) (CID 167356231) is 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+).

What is the SMILES notation for 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)?

The canonical SMILES for 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) is [2H]C([2H])([2H])c1cc(-c2ccccc2)cc(-n2c(-c3cc(C)cc(C)c3O[CH2-])nc3c(-c4[c-]c(-c5cc(-c6ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc6)ccn5)cc(-c5ccccc5)c4)cccc32)c1.[Pt+2].

What is the InChIKey of 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)?

The InChIKey is GEKWCDDACZLEQG-YTMKWLTNSA-N. The full InChI is InChI=1S/C56H47N3O.Pt/c1-36-27-38(3)54(60-7)50(30-36)55-58-53-49(19-14-20-52(53)59(55)48-29-37(2)28-43(34-48)39-15-10-8-11-16-39)45-31-44(40-17-12-9-13-18-40)32-46(33-45)51-35-42(25-26-57-51)41-21-23-47(24-22-41)56(4,5)6;/h8-32,34-35H,7H2,1-6H3;/q-2;+2/i2D3,4D3,5D3,6D3;.

What are the key properties of 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+)?

4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) has a molecular weight of 985.16 g/mol, XLogP of 14.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]-5-phenylbenzene-2-id-1-yl]-2-(2-methanidyloxy-3,5-dimethylphenyl)-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazole;platinum(2+) is sourced from PubChem (CID 167356231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).